1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclobutan-1-amine

C12H24N2 — CID 81169692

IUPAC1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclobutan-1-amine
SMILESCC1CC(C)CN(CC2(N)CCC2)C1
InChIInChI=1S/C12H24N2/c1-10-6-11(2)8-14(7-10)9-12(13)4-3-5-12/h10-11H,3-9,13H2,1-2H3
InChIKeyFDZNPHKYGXDQGU-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.85
Rot. Bonds2

About 1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclobutan-1-amine

1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclobutan-1-amine (PubChem CID 81169692) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclobutan-1-amine
PubChem CID81169692
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclobutan-1-amine
SMILESCC1CC(C)CN(CC2(N)CCC2)C1
InChIInChI=1S/C12H24N2/c1-10-6-11(2)8-14(7-10)9-12(13)4-3-5-12/h10-11H,3-9,13H2,1-2H3
InChIKeyFDZNPHKYGXDQGU-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-aminocyclopentyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465122
[1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methanol
CID 55055320
1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpiperidine
CID 65013837
1-[(2,4-dimethylpiperidin-1-yl)methyl]cyclobutan-1-amine
CID 81170259
1-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
CID 63625982
1-(3-azabicyclo[3.2.0]heptan-3-ylmethyl)cyclopropan-1-amine
CID 164651116
3-(bromomethyl)-5-methyl-1-[(1-methylcyclobutyl)methyl]piperidine
CID 130855798
4-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-4-amine
CID 115295276
1-[(3-methylthiomorpholin-4-yl)methyl]cyclobutan-1-amine
CID 81170046
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-amine
CID 104959111
1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3,5-dimethylpiperidine
CID 176561973
1-[(3,5-dimethylpiperidin-1-yl)methyl]-7-azabicyclo[2.2.1]heptane
CID 164663881

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclobutan-1-amine (CID 81169692) is 1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclobutan-1-amine is CC1CC(C)CN(CC2(N)CCC2)C1.
What is the InChIKey of 1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclobutan-1-amine?
The InChIKey is FDZNPHKYGXDQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10-6-11(2)8-14(7-10)9-12(13)4-3-5-12/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclobutan-1-amine?
1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclobutan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 81169692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).